SCHEMBL1119397

SCHEMBL1119397

O=C1CNc2cc(Br)ccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.56
AHR P35869 1/20 0.56
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMYD3 Q9H7B4 1/20 0.44
TGM2 P21980 1/20 0.44
CES1 P23141 1/20 0.44
GABRA1 P14867 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
BRD4 O60885 1/20 0.42
ADRA1A P35348 1/20 0.41
CCNB2 O95067 2/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
GSK3B P49841 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22278373 0.92 CMA1 (0.56) CMA1AHRCYP11B1CYP11B2KMT2A
SCHEMBL13729447 0.83 CMA1 (0.51) CMA1AHRCYP11B1CYP11B2KMT2A
SCHEMBL389879 0.82 TGM2 (0.56) CMA1AHRKMT2AMEN1TGM2
SCHEMBL31734661 0.82 AHR (0.69) CMA1AHRKMT2AMEN1TGM2
SCHEMBL21619357 0.79 CMA1 (0.51) CMA1AHRKMT2AMEN1TGM2
SCHEMBL12672111 0.78 EPHX2 (0.51) CYP11B1CYP11B2SMYD3BRD4CDK5
SCHEMBL3594278 0.78 CYP11B1 (0.50) CMA1AHRCYP11B1CYP11B2SMYD3
SCHEMBL1319879 0.78 AHR (0.55) CMA1AHRCYP11B1CYP11B2KMT2A
SCHEMBL2360570 0.78 CA9 (0.53) CMA1AHRCYP11B1CYP11B2KMT2A
SCHEMBL30509174 0.78 EPHX2 (0.51) CYP11B1CYP11B2SMYD3BRD4CDK5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119060045-A Thiazole urea derivative and application thereof 杭州百新生物医药科技有限公司 2024-12-03 CN disclosed
CN-118772131-A Biaryl compound and preparation method and application thereof 河南大学 2024-10-15 CN disclosed
US-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2022-05-24 US disclosed
EP-3642193-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS AND RELATED COMPOSITION ZHANG XIAOHU (CN) 2022-04-27 EP disclosed
EP-3642193-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS AND RELATED COMPOSITION ZHANG XIAOHU (CN) 2022-04-27 EP disclosed
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE (HK) LIMITED (HK) 2021-05-27 US disclosed
EP-3642193-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME Zhang, Xiaohu (CN) 2020-04-29 EP disclosed
WO-2018237370-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2018-12-27 WO disclosed
EP-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP disclosed
WO-2016199943-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-15 WO disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 US disclosed
US-7919502-B2 Pyridopyrazines and derivatives thereof as ALK and c-MET inhibitors CEPHALON, INC. (US) 2011-04-05 US disclosed
EP-2280954-A1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 Universität des Saarlandes (DE) 2011-02-09 EP disclosed
US-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2010-02-25 US disclosed
WO-2009135651-A1 6-PYRIDIN-3-YL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN ALDOSTERONE SYNTHASE CYP11B2 UNIVERSITÄT SAARLANDES (DE) 2009-11-12 WO disclosed
US-7601716-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2009-10-13 US disclosed
EP-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 EP disclosed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 US disclosed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same BAX, LITAF, PNLIP CMA1 173/4885AHR 1085/4885CYP11B1 81/4885
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 HSD11B1, HSD11B2, CYP4A11 CMA1 304/4885AHR 621/4885CYP11B1 6/4885
US-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET CMA1 267/4885AHR 303/4885CYP11B1 2058/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CMA1 311/4885AHR 4262/4885CYP11B1 3/4885
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME BAX, LITAF, PNLIP CMA1 173/4885AHR 1085/4885CYP11B1 81/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET CMA1 267/4885AHR 303/4885CYP11B1 2058/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.